3D9R

Crystal structure of ketosteroid isomerase-like protein (YP_049581.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 2.40 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	2008-03-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97879,0.97932
Spacegroup name	C 2 2 21
Unit cell lengths	115.998, 135.416, 139.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.841 - 2.400
R-factor	0.184
Rwork	0.182
R-free	0.21900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.370
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.841	29.840	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.078	0.042	0.658
Total number of observations		1687	11641
Number of reflections	42374
<I/σ(I)>	6.9	9.5	1.2
Completeness [%]	98.7	90.4	99.8
Redundancy	3.7	3.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	2.0000M NaCl, 0.1M Acetate pH 4., NANODROP, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K