1ZX8

CRYSTAL STRUCTURE OF an atypical cyclophilin (peptidylprolyl cis-trans isomerase) (TM1367) FROM THERMOTOGA MARITIMA AT 1.90 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.89194, 0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	77.083, 132.875, 41.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.070 - 1.900
Rwork	0.166
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.684
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.080	29.080	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.067	0.038	0.600
Number of reflections	34243
<I/σ(I)>	6.9	10.2	1.2
Completeness [%]	99.8
Redundancy	3.6	2.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	4.2	277	0.2M NaCl, 50.0% PEG-200, 0.1M Phosphate Citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K