2PGC

Crystal structure of a a marine metagenome protein (jcvi_pep_1096685590403) from uncultured marine organism at 2.53 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	CCD
Collection date	2007-03-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	137.475, 139.935, 60.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.921 - 2.530
R-factor	0.215
Rwork	0.214
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.246
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.921	29.920	2.600
High resolution limit [Å]	2.530	11.310	2.530
Rmerge	0.076	0.036	0.684
Total number of observations		1548	10276
Number of reflections	39917
<I/σ(I)>	7.7	15.4	1.1
Completeness [%]	99.8	94.6	99.6
Redundancy	3.6	3.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	NANODROP, 0.2M K2SO4, 20.0% PEG 3350, No Buffer pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 277K