4Z1R

Crystal structure of collagen-like peptide at 1.27 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-13
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	171.573, 13.939, 24.981
Unit cell angles	90.00, 94.59, 90.00

Refinement procedure

Resolution	28.500 - 1.270
R-factor	0.1396
Rwork	0.137
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cag
RMSD bond length	0.013
RMSD bond angle	2.031
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.350
High resolution limit [Å]	1.270	3.790	1.270
Rmerge	0.052	0.035	0.148
Rmeas	0.060	0.041	0.179
Total number of observations	60616
Number of reflections	16057	663	2387
<I/σ(I)>	17.15	27.22	8.01
Completeness [%]	98.6	95.3	93.7
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	20% PEG 400, 5% acetic acid