5HW7

Candida albicans FKBP12 apo protein in P21212 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-01
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	35.813, 80.714, 94.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.905 - 2.291
R-factor	0.1839
Rwork	0.179
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.423
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.291	6.240	2.291
Rmerge	0.064	0.025	0.559
Number of reflections	12808
<I/σ(I)>	16.6
Completeness [%]	98.8	94.3	92.3
Redundancy	3	2.9	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2M Ammonium Sulfate , 0.1M Citrate pH5.5