4PW1

Crystal structure of a protein with unknown function (CLOLEP_02462) from Clostridium leptum DSM 753 at 2.10 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97959,0.97903
Spacegroup name	P 41 21 2
Unit cell lengths	72.101, 72.101, 214.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.907 - 2.100
R-factor	0.1653
Rwork	0.164
R-free	0.19700
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.541
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.907	29.907	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge		0.046	0.285
Total number of observations		2293	13137
Number of reflections	33887
<I/σ(I)>	14.5	10.5	2.7
Completeness [%]	99.6	94.7	99.1
Redundancy	5.9	5.1	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.33	277	0.20M lithium sulfate, 0.90M di-potassium hydrogen phosphate, 1.083M sodium dihydrogen phosphate, 0.1M Glycine pH 9.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K